General Information of the Compound
| Compound ID |
CP0489622
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| Compound Name |
CHEMBL4745524
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| Formula |
C20H21ClN4O
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| Molecular Weight |
368.868
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| Canonical SMILES |
Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCc3cc(Cl)ccc3-n12
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| InChI |
InChI=1S/C20H21ClN4O/c1-12-10-17(24-26-12)13-2-4-14(5-3-13)20-23-22-19-9-6-15-11-16(21)7-8-18(15)25(19)20/h7-8,10-11,13-14H,2-6,9H2,1H3/t13-,14-
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| InChIKey |
ZSBLXIMEXXLTMW-HDJSIYSDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound